SCHEMBL5535931

SCHEMBL5535931

CN(C)c1cccc2c1-c1ccccc1C2=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.85
L3MBTL1 Q9Y468 5/20 0.85
MAPT P10636 5/20 0.85
TDP1 Q9NUW8 4/20 0.85
MAPK1 P28482 3/20 0.85
EGFR P00533 2/20 0.85
NSD2 O96028 1/20 0.85
LMNA P02545 1/20 0.85
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KEAP1 Q14145 3/20 0.54
RAB9A P51151 3/20 0.54
PTK2B Q14289 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PABPC1 P11940 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
CDC25B P30305 1/20 0.48
PTPRC P08575 1/20 0.47
ADORA2A P29274 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL187706 0.92 L3MBTL1 (1.00) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL18984695 0.88 MAPT (0.85) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL18984785 0.85 MAPT (0.88) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL2362908 0.84 MAPT (0.85) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL5576934 0.83 MAPT (0.59) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL187595 0.81 MAPT (0.74) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL31171427 0.81 MAPT (0.74) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL9844713 0.80 ALDH1A1 (0.79) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL3687794 0.79 L3MBTL1 (0.56) ALDH1A1L3MBTL1MAPTTDP1MAPK1
SCHEMBL21922650 0.77 MAPT (0.53) ALDH1A1L3MBTL1MAPTTDP1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-12-08 US disclosed
US-20050214222-A1 In vivo imaging of amyloid plaques in glaucoma using intravenous injectable dyes NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2005-09-29 US disclosed
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP ALDH1A1 1209/4885L3MBTL1 1784/4885MAPT 13/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 ALDH1A1 1533/4885L3MBTL1 1900/4885MAPT 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.